7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride

C9H11ClFN3 — CID 168914385

IUPAC7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride
SMILESCc1c(N)cc2cn(C)nc2c1F.Cl
InChIInChI=1S/C9H10FN3.ClH/c1-5-7(11)3-6-4-13(2)12-9(6)8(5)10;/h3-4H,11H2,1-2H3;1H
InChIKeyBJOSLMYARSUAFO-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.02
Rot. Bonds

About 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride

7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride (PubChem CID 168914385) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride.

Molecular Properties

Compound Name7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride
PubChem CID168914385
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride
SMILESCc1c(N)cc2cn(C)nc2c1F.Cl
InChIInChI=1S/C9H10FN3.ClH/c1-5-7(11)3-6-4-13(2)12-9(6)8(5)10;/h3-4H,11H2,1-2H3;1H
InChIKeyBJOSLMYARSUAFO-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6-fluoro-2-methylindazol-5-amine
CID 171792771
5-amino-2,7-dimethylindazol-6-ol;2,5-dimethylindazol-7-amine;ethane
CID 176566536
(7-fluoro-2,5-dimethylindazol-6-yl)methanol
CID 176566434
6-fluoro-2-methylindazol-5-amine
CID 118626680
5-ethyl-7-fluoro-2-methylindazol-6-ol
CID 168902393
6-chloro-7-fluoro-2-methylindazole
CID 171662432
5-fluoro-2-methylindazol-6-amine
CID 117110292
6,7-difluoro-2,4-dimethylindazole
CID 166076527
(5-ethyl-7-fluoro-2-methylindazol-6-yl)methanol
CID 176566685
5-ethyl-7-fluoro-6-methoxy-2-methylindazole
CID 167501474
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
ethane;2,5,7-trimethylindazol-6-ol
CID 162433004

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride?
The IUPAC name of 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride (CID 168914385) is 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride.
What is the SMILES notation for 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride?
The canonical SMILES for 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride is Cc1c(N)cc2cn(C)nc2c1F.Cl.
What is the InChIKey of 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride?
The InChIKey is BJOSLMYARSUAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3.ClH/c1-5-7(11)3-6-4-13(2)12-9(6)8(5)10;/h3-4H,11H2,1-2H3;1H.
What are the key properties of 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride?
7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride has a molecular weight of 215.66 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride is sourced from PubChem (CID 168914385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).